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PUBCHEM-ZINC02178966

 MMsINC code: MMs02881789
Type: Neutral
Formula: C9H13O3P
SMILES:   P(O)(O)(=O)Cc1cc(cc(c1)C)C
InChI:   InChI=1/C9H13O3P/c1-7-3-8(2)5-9(4-7)6-13(10,11)12/h3-5H,6H2,1-2H3,(H2,10,11,12)

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Potential Energy
Epot(MMFF94)=-10.2983 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.174 g/mol  logS: -1.63676  SlogP: 1.17734  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0998603  Sterimol/B1: 2.28937  Sterimol/B2: 2.94316  Sterimol/B3: 3.35005
  Sterimol/B4: 7.17959  Sterimol/L: 11.122 
 
 Surface and Volume Properties
  Accessible surface: 402.577  Positive charged surface: 234.023  Negative charged surface: 168.553  Volume: 185.625
  Hydrophobic surface: 273.763  Hydrophilic surface: 128.814
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.